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1802251-00-8

中文名稱 1802251-00-8
英文名稱 GSK1379725A
CAS 1802251-00-8
分子式 C23H23FN6O3
分子量 450.47
MOL 文件 1802251-00-8.mol
更新日期 2023/09/14 14:01:39
1802251-00-8 結(jié)構(gòu)式 1802251-00-8 結(jié)構(gòu)式

基本信息

中文別名
化合物GSK1379725A
3-(3-(1-(2-((4-氟苯基)氨基)嘧啶-4-基)吡咯烷-3-基)脲基)苯甲酸甲酯
英文別名
GSK1379725A
Benzoic acid, 3-[[[[1-[2-[(4-fluorophenyl)amino]-4-pyrimidinyl]-3-pyrrolidinyl]amino]carbonyl]amino]-, methyl ester

物理化學(xué)性質(zhì)

密度1.39±0.1 g/cm3(Predicted)
儲(chǔ)存條件-20°C儲(chǔ)存
溶解度DMSO: 83.33 mg/mL (184.98 mM)
酸度系數(shù)(pKa)12.94±0.20(Predicted)
形態(tài)Solid
顏色White to off-white

安全數(shù)據(jù)

危險(xiǎn)性符號(hào)(GHS)GHS hazard pictograms
GHS07
警示詞警告
危險(xiǎn)性描述H315-H319

常見問題列表

生物活性
GSK1379725A 是 BPTF 的選擇性配體,Kd 值為 2.8 uM,對 Brd4 無結(jié)合活性。
體外研究

From the NMR titration of GSK1379725A, the bound and unbound resonances are separated by 171 Hz, providing an upper bound for the chemical exchange rate. Assuming an association rate of 1×10 8 M -1 s -1 as a high end for a range of protein-small molecule interactions, (e.g., chymotrypsin: proflavin k 1 =1.2×10 8 M -1 s -1 ), an upper K d of 8 μM is estimated from this experiment. For a more accurate determination with a non-fluorinated protein, ITC is used as a complementary direct binding assay using unlabeled BPTF. A K d of 2.8 μM is obtained, consistent with our intermediate exchange resonance broadening by PrOF NMR. Although GSK1379725A has been demonstrated to be selective over Brd4, a full selectivity panel against other bromodomains will be needed. A database search using ChEMBL only showed GSK1379725A to be active in five cellular assays with an EC 50 of 500 nM carried out. Additionally, no kinase activity has been reported for GSK1379725A despite the growing screening use of the PKIS library.

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